bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole

C74H88N8 — CID 160784637

IUPACbis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H30N2.C19H22N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;2*4-11,13H,1-3H3/t19-;17-;2*13-/m0011/s1
InChIKeySBAVPWWYXDTSAE-SZPVTTKDSA-N
MW1089.57 g/mol
LogP19.00
Rot. Bonds8

About bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole

bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole (PubChem CID 160784637) has the molecular formula C74H88N8 and a molecular weight of 1089.57 g/mol. Its IUPAC name is bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Namebis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
PubChem CID160784637
Molecular FormulaC74H88N8
Molecular Weight1089.57 g/mol
Exact Mass1088.71
IUPAC Namebis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H30N2.C19H22N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;2*4-11,13H,1-3H3/t19-;17-;2*13-/m0011/s1
InChIKeySBAVPWWYXDTSAE-SZPVTTKDSA-N
XLogP19.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.57
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The IUPAC name of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole (CID 160784637) is bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole.
What is the SMILES notation for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The canonical SMILES for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole is Cc1ccccc1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C@H]1C.Cc1ccccc1N1C=CN(c2c(C)cccc2C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@H]1C.
What is the InChIKey of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The InChIKey is SBAVPWWYXDTSAE-SZPVTTKDSA-N. The full InChI is InChI=1S/C23H30N2.C19H22N2.2C16H18N2/c1-16(2)20-11-9-12-21(17(3)4)23(20)25-15-14-24(19(25)6)22-13-8-7-10-18(22)5;1-14-8-5-6-11-18(14)20-12-13-21(17(20)4)19-15(2)9-7-10-16(19)3;2*1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18/h7-17,19H,1-6H3;5-13,17H,1-4H3;2*4-11,13H,1-3H3/t19-;17-;2*13-/m0011/s1.
What are the key properties of bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole has a molecular weight of 1089.57 g/mol, XLogP of 19.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole is sourced from PubChem (CID 160784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).